CID 156963017

4-hydroxy-2-propylpentanoylcarnitine

Structural Information

Molecular Formula
C15H30NO5
SMILES
CCCC(CC(C)O)C(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C15H29NO5/c1-6-7-12(8-11(2)17)15(20)21-13(9-14(18)19)10-16(3,4)5/h11-13,17H,6-10H2,1-5H3/p+1
InChIKey
PQHUBWCHYQBIIG-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(4-hydroxy-2-propylpentanoyl)oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2124 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21968 172.5
[M+Na]+ 327.20162 174.5
[M-H]- 303.20512 170.6
[M+NH4]+ 322.24622 190.0
[M+K]+ 343.17556 169.6
[M+H-H2O]+ 287.20966 169.9
[M+HCOO]- 349.21060 191.9
[M+CH3COO]- 363.22625 201.0
[M+Na-2H]- 325.18707 172.5
[M]+ 304.21185 174.6
[M]- 304.21295 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.